| SpectraBase Spectrum ID |
CID1vj0G9bj |
| Name |
Butanoic acid, 2-methyl-4-methylpentyl ester |
| CAS Registry Number |
35852-40-5 |
| Copyright |
Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved. |
| Exact Mass |
186.161979946 u |
| Formula |
C11H22O2 |
| InChI |
InChI=1S/C11H22O2/c1-5-10(4)11(12)13-8-6-7-9(2)3/h9-10H,5-8H2,1-4H3 |
| InChIKey |
RMXBPCDIHPZCQB-UHFFFAOYSA-N |
| Molecular Weight |
186.295 g/mol |
| Number of Peaks |
50 |
| RI1 |
1202 |
| SMILES |
C(OCCCC(C)C)(C(CC)C)=O |
| SPLASH |
splash10-052f-9100000000-74ffd62c970b02262b2c |
| Sample Comments |
RI1: measured on SLB-5ms (Hydro)
RI2: measured on SLB-5ms (FAMEs)
RI3: measured on Supelcowax-10 (FAMEs)
RI4: measured on Supelcowax-10 (FAEEs)
RI5: measured on Equity-1 (Hydro) |
| Source of Spectrum |
Prof. L. Mondello (Chromaleont s.r.l./Univ. Messina, Italy) |
| Synonyms |
Butanoic acid, 2-methyl-, 4-methylpentyl ester |
| Wiley ID |
LM_FFNSC3_2839 |
